General Information of the Compound
Compound ID
CP0514337
Compound Name
N-(2',5'-dioxospiro[7,8-dihydro-5H-naphthalene-6,4'-imidazolidine]-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
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Structure
Formula
C21H18N4O5
Molecular Weight
406.398
Canonical SMILES
O=C(Cn1c2ccccc2oc1=O)Nc1ccc2CC3(CCc2c1)NC(=O)NC3=O
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InChI
InChI=1S/C21H18N4O5/c26-17(11-25-15-3-1-2-4-16(15)30-20(25)29)22-14-6-5-13-10-21(8-7-12(13)9-14)18(27)23-19(28)24-21/h1-6,9H,7-8,10-11H2,(H,22,26)(H2,23,24,27,28)
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InChIKey
RUQMDYOVMKHCKF-UHFFFAOYSA-N
Physicochemical Property
logP
1.3001
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
122.44
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
30

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 10453991
SID: 15475674
ChEMBL ID
CHEMBL376263
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01670, Calcitonin gene-related peptide type 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000748 NAL1A clone C4E10 Mus musculus (Mouse)  1
1
IC50 = 3300 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 607 nM
   TI
   LI
   LO
   TS